✦ LIBER ✦

Targeting biomolecular flexibility with metadynamics

✍ Scribed by Vanessa Leone; Fabrizio Marinelli; Paolo Carloni; Michele Parrinello

Book ID: 113883324
Publisher: Elsevier Science
Year: 2010
Tongue: English
Weight: 557 KB
Volume: 20
Category: Article
ISSN: 0959-440X
DOI: 10.1016/j.sbi.2010.01.011

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Biomolecular computation with molecular

Biomolecular computation with molecular beacons for quantitative analysis of target nucleic acids

✍ Lim, Hee-Woong; Lee, Seung Hwan; Yang, Kyung-Ae; Yoo, Suk-In; Park, Tai Hyun; Zh 📂 Article 📅 2013 🏛 Elsevier Science 🌐 English ⚖ 561 KB

Preparation and properties of a novel dr

Preparation and properties of a novel drug delivery system with both magnetic and biomolecular targeting

✍ Yong Yang; Ji-Sen Jiang; Bing Du; Zhi-Feng Gan; Min Qian; Ping Zhang 📂 Article 📅 2008 🏛 Springer 🌐 English ⚖ 412 KB

The macroeconomic policy mix in a moneta

The macroeconomic policy mix in a monetary union with flexible inflation targeting

✍ Torben M. Andersen 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 410 KB

Targeting the optimum steam system for p

Targeting the optimum steam system for power generation with increased flexibility in the steam power island design

✍ Barbara B. Botros; John G. Brisson 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 490 KB

ChemInform Abstract: Docking to RNA via

ChemInform Abstract: Docking to RNA via Root-Mean-Square-Deviation-Driven Energy Minimization with Flexible Ligands and Flexible Targets.

✍ Christophe Guilbert; Thomas L. James 📂 Article 📅 2008 🏛 John Wiley and Sons ⚖ 15 KB

A fast empirical GAFF compatible partial

A fast empirical GAFF compatible partial atomic charge assignment scheme for modeling interactions of small molecules with biomolecular targets

✍ Goutam Mukherjee; Niladri Patra; Poranjyoti Barua; B. Jayaram 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 690 KB

## Abstract We report here a new and fast approach [Transferable Partial Atomic Charge Model (TPACM4)—upto four bonds] for deriving the partial atomic charges of small molecules for use in protein/DNA‐ligand docking and scoring. We have created a look‐up table of 5302 atom types to cover the chemic